3-[8-cyclopentyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]propyl ethanoate

Systemtic Name: 3-[8-cyclopentyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]propyl ethanoate Openeye Name: 3-(7-benzyl-8-cyclopentyl-2,6-dioxo-1-propyl-purin-3-yl)propyl acetate CAS Name: acetic acid 3-[8-cyclopentyl-2,6-dioxo-7-(phenylmethyl)-1-propyl-3-purinyl]propyl ester IUPAC Name: 3-(7-benzyl-8-cyclopentyl-2,6-dioxo-1-propylpurin-3-yl)propyl acetate Traditional Name: acetic acid 3-(7-benzyl-8-cyclopentyl-2,6-diketo-1-propyl-purin-3-yl)propyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCOC(=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCOC(=O)C

InChI

InChI=1S/C25H32N4O4/c1-3-14-28-24(31)21-23(27(25(28)32)15-9-16-33-18(2)30)26-22(20-12-7-8-13-20)29(21)17-19-10-5-4-6-11-19/h4-6,10-11,20H,3,7-9,12-17H2,1-2H3